Wednesday, October 31, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-methoxy-N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]benzamide
CAS Name: 3-methoxy-N-[2-[4-[4-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinyl]ethyl]benzamide
IUPAC NAME: 3-methoxy-N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]benzamide
SYSTEMATIC NAME: 3-methoxy-N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]benzamide
MOLECULAR FORMULA: C19H22F3N5O2
MOLECULAR WEIGHT: 409.40549
SMILES: COC1=CC=CC(=C1)C(=O)NCCN2CCN(CC2)C3=NC=CC(=N3)C(F)(F)F
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Product OPENEYE NAME: 4-chloro-N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]benzamide
CAS Name: 4-chloro-N-[2-[4-[4-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinyl]ethyl]benzamide
IUPAC NAME: 4-chloro-N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]benzamide
MOLECULAR FORMULA: C18H19ClF3N5O
MOLECULAR WEIGHT: 413.82457
SMILES: C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)Cl)C3=NC=CC(=N3)C(F)(F)F
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Product OPENEYE NAME: (4-benzhydrylpiperazin-1-yl)-(2,3-dihydrobenzofuran-5-yl)methanone
CAS Name: 2,3-dihydrobenzofuran-5-yl-[4-(diphenylmethyl)-1-piperazinyl]methanone
IUPAC NAME: (4-benzhydrylpiperazin-1-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
SYSTEMATIC NAME: 2,3-dihydro-1-benzofuran-5-yl-[4-(diphenylmethyl)piperazin-1-yl]methanone
MOLECULAR FORMULA: C26H26N2O2
MOLECULAR WEIGHT: 398.49684
SMILES: C1COC2=C1C=C(C=C2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: N-(1-benzyl-4-piperidyl)-2,3-dihydrobenzofuran-5-carboxamide
CAS Name: N-[1-(phenylmethyl)-4-piperidinyl]-2,3-dihydrobenzofuran-5-carboxamide
IUPAC NAME: N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
SYSTEMATIC NAME: N-[1-(phenylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
MOLECULAR FORMULA: C21H24N2O2
MOLECULAR WEIGHT: 336.42746
SMILES: C1CN(CCC1NC(=O)C2=CC3=C(C=C2)OCC3)CC4=CC=CC=C4
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Product OPENEYE NAME: N-(2-furylmethyl)-2,3-dihydrobenzofuran-5-carboxamide
CAS Name: N-(2-furanylmethyl)-2,3-dihydrobenzofuran-5-carboxamide
IUPAC NAME: N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
MOLECULAR FORMULA: C14H13NO3
MOLECULAR WEIGHT: 243.25792
SMILES: C1COC2=C1C=C(C=C2)C(=O)NCC3=CC=CO3
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Product OPENEYE NAME: N-(3-thienylmethyl)-2,3-dihydrobenzofuran-5-carboxamide
CAS Name: N-(3-thiophenylmethyl)-2,3-dihydrobenzofuran-5-carboxamide
IUPAC NAME: N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SYSTEMATIC NAME: N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
MOLECULAR FORMULA: C14H13NO2S
MOLECULAR WEIGHT: 259.32352
SMILES: C1COC2=C1C=C(C=C2)C(=O)NCC3=CSC=C3
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Product OPENEYE NAME: 2-(1-oxophthalazin-2-yl)ethyl 2,3-dihydrobenzofuran-5-carboxylate
CAS Name: 2,3-dihydrobenzofuran-5-carboxylic acid 2-(1-oxo-2-phthalazinyl)ethyl ester
IUPAC NAME: 2-(1-oxophthalazin-2-yl)ethyl 2,3-dihydro-1-benzofuran-5-carboxylate
SYSTEMATIC NAME: 2-(1-oxidanylidenephthalazin-2-yl)ethyl 2,3-dihydro-1-benzofuran-5-carboxylate
MOLECULAR FORMULA: C19H16N2O4
MOLECULAR WEIGHT: 336.34134
SMILES: C1COC2=C1C=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C=N3
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Product OPENEYE NAME: [5-[3,5-bis(trifluoromethyl)phenyl]-2-furyl]methyl 2,3-dihydrobenzofuran-5-carboxylate
CAS Name: 2,3-dihydrobenzofuran-5-carboxylic acid [5-[3,5-bis(trifluoromethyl)phenyl]-2-furanyl]methyl ester
IUPAC NAME: [5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methyl 2,3-dihydro-1-benzofuran-5-carboxylate
SYSTEMATIC NAME: [5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methyl 2,3-dihydro-1-benzofuran-5-carboxylate
MOLECULAR FORMULA: C22H14F6O4
MOLECULAR WEIGHT: 456.334579
SMILES: C1COC2=C1C=C(C=C2)C(=O)OCC3=CC=C(O3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 1-(4-benzyloxyphenyl)-3-(2-furylmethyl)urea
CAS Name: 1-(2-furanylmethyl)-3-(4-phenylmethoxyphenyl)urea
IUPAC NAME: 1-(furan-2-ylmethyl)-3-(4-phenylmethoxyphenyl)urea
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)-3-(4-phenylmethoxyphenyl)urea
MOLECULAR FORMULA: C19H18N2O3
MOLECULAR WEIGHT: 322.35782
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)NCC3=CC=CO3
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Product OPENEYE NAME: 1-(2-furylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea
CAS Name: 1-(2-furanylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea
IUPAC NAME: 1-(furan-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)-3-[4-(trifluoromethyloxy)phenyl]urea
MOLECULAR FORMULA: C13H11F3N2O3
MOLECULAR WEIGHT: 300.23325
SMILES: C1=COC(=C1)CNC(=O)NC2=CC=C(C=C2)OC(F)(F)F
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Product OPENEYE NAME: 1-(2,6-dibromo-4-isopropyl-phenyl)-3-(2-furylmethyl)urea
CAS Name: 1-(2,6-dibromo-4-propan-2-ylphenyl)-3-(2-furanylmethyl)urea
IUPAC NAME: 1-(2,6-dibromo-4-propan-2-ylphenyl)-3-(furan-2-ylmethyl)urea
SYSTEMATIC NAME: 1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-(furan-2-ylmethyl)urea
MOLECULAR FORMULA: C15H16Br2N2O2
MOLECULAR WEIGHT: 416.10774
SMILES: CC(C)C1=CC(=C(C(=C1)Br)NC(=O)NCC2=CC=CO2)Br
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Product OPENEYE NAME: 1-(4-benzyloxyphenyl)-3-(3-pyridyl)urea
CAS Name: 1-(4-phenylmethoxyphenyl)-3-(3-pyridinyl)urea
IUPAC NAME: 1-(4-phenylmethoxyphenyl)-3-pyridin-3-ylurea
SYSTEMATIC NAME: 1-(4-phenylmethoxyphenyl)-3-pyridin-3-yl-urea
MOLECULAR FORMULA: C19H17N3O2
MOLECULAR WEIGHT: 319.35718
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)NC3=CN=CC=C3
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Product OPENEYE NAME: 1-(3-pyridyl)-3-[4-(trifluoromethoxy)phenyl]urea
CAS Name: 1-(3-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea
IUPAC NAME: 1-pyridin-3-yl-3-[4-(trifluoromethoxy)phenyl]urea
SYSTEMATIC NAME: 1-pyridin-3-yl-3-[4-(trifluoromethyloxy)phenyl]urea
MOLECULAR FORMULA: C13H10F3N3O2
MOLECULAR WEIGHT: 297.23261
SMILES: C1=CC(=CN=C1)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F
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Product OPENEYE NAME: 1-(2,6-dibromo-4-isopropyl-phenyl)-3-(3-pyridyl)urea
CAS Name: 1-(2,6-dibromo-4-propan-2-ylphenyl)-3-(3-pyridinyl)urea
IUPAC NAME: 1-(2,6-dibromo-4-propan-2-ylphenyl)-3-pyridin-3-ylurea
SYSTEMATIC NAME: 1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-pyridin-3-yl-urea
MOLECULAR FORMULA: C15H15Br2N3O
MOLECULAR WEIGHT: 413.1071
SMILES: CC(C)C1=CC(=C(C(=C1)Br)NC(=O)NC2=CN=CC=C2)Br
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Product OPENEYE NAME: 4-phenyl-2-[5-(2-pyridyl)-2-thienyl]thiazole
CAS Name: 4-phenyl-2-[5-(2-pyridinyl)-2-thiophenyl]thiazole
IUPAC NAME: 4-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole
SYSTEMATIC NAME: 4-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole
MOLECULAR FORMULA: C18H12N2S2
MOLECULAR WEIGHT: 320.43128
SMILES: C1=CC=C(C=C1)C2=CSC(=N2)C3=CC=C(S3)C4=CC=CC=N4
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Product OPENEYE NAME: 2-(1,3-benzodioxol-5-yl)-4-phenyl-thiazole
CAS Name: 2-(1,3-benzodioxol-5-yl)-4-phenylthiazole
IUPAC NAME: 2-(1,3-benzodioxol-5-yl)-4-phenyl-1,3-thiazole
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-yl)-4-phenyl-1,3-thiazole
MOLECULAR FORMULA: C16H11NO2S
MOLECULAR WEIGHT: 281.32904
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NC(=CS3)C4=CC=CC=C4
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Product OPENEYE NAME: 4-(4-fluorophenyl)-2-[5-(2-pyridyl)-2-thienyl]thiazole
CAS Name: 4-(4-fluorophenyl)-2-[5-(2-pyridinyl)-2-thiophenyl]thiazole
IUPAC NAME: 4-(4-fluorophenyl)-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole
SYSTEMATIC NAME: 4-(4-fluorophenyl)-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole
MOLECULAR FORMULA: C18H11FN2S2
MOLECULAR WEIGHT: 338.421743
SMILES: C1=CC=NC(=C1)C2=CC=C(S2)C3=NC(=CS3)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 2-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)thiazole
CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)thiazole
IUPAC NAME: 2-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-1,3-thiazole
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-1,3-thiazole
MOLECULAR FORMULA: C16H10FNO2S
MOLECULAR WEIGHT: 299.319503
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NC(=CS3)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 4-(4-chlorophenyl)sulfonyl-3-methyl-N-(3-oxo-1H-isobenzofuran-5-yl)thiophene-2-carboxamide
CAS Name: 4-(4-chlorophenyl)sulfonyl-3-methyl-N-(3-oxo-1H-isobenzofuran-5-yl)-2-thiophenecarboxamide
IUPAC NAME: 4-(4-chlorophenyl)sulfonyl-3-methyl-N-(3-oxo-1H-2-benzofuran-5-yl)thiophene-2-carboxamide
SYSTEMATIC NAME: 4-(4-chlorophenyl)sulfonyl-3-methyl-N-(3-oxidanylidene-1H-2-benzofuran-5-yl)thiophene-2-carboxamide
MOLECULAR FORMULA: C20H14ClNO5S2
MOLECULAR WEIGHT: 447.91186
SMILES: CC1=C(SC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC4=C(COC4=O)C=C3
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Product OPENEYE NAME: 2-[2-(5-ethoxycarbonyl-2-morpholino-anilino)-2-oxo-ethoxy]acetic acid
CAS Name: 2-[2-[5-ethoxycarbonyl-2-(4-morpholinyl)anilino]-2-oxoethoxy]acetic acid
IUPAC NAME: 2-[2-(5-ethoxycarbonyl-2-morpholin-4-ylanilino)-2-oxoethoxy]acetic acid
SYSTEMATIC NAME: 2-[2-[(5-ethoxycarbonyl-2-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethoxy]ethanoic acid
MOLECULAR FORMULA: C17H22N2O7
MOLECULAR WEIGHT: 366.36578
SMILES: CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)COCC(=O)O
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Product OPENEYE NAME: 5-(5-ethoxycarbonyl-2-morpholino-anilino)-5-oxo-pentanoic acid
CAS Name: 5-[5-ethoxycarbonyl-2-(4-morpholinyl)anilino]-5-oxopentanoic acid
IUPAC NAME: 5-(5-ethoxycarbonyl-2-morpholin-4-ylanilino)-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[(5-ethoxycarbonyl-2-morpholin-4-yl-phenyl)amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C18H24N2O6
MOLECULAR WEIGHT: 364.39296
SMILES: CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)CCCC(=O)O
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Product OPENEYE NAME: 2-[(5-ethoxycarbonyl-2-morpholino-phenyl)carbamoyl]benzoic acid
CAS Name: 2-[[5-ethoxycarbonyl-2-(4-morpholinyl)anilino]-oxomethyl]benzoic acid
IUPAC NAME: 2-[(5-ethoxycarbonyl-2-morpholin-4-ylphenyl)carbamoyl]benzoic acid
SYSTEMATIC NAME: 2-[(5-ethoxycarbonyl-2-morpholin-4-yl-phenyl)carbamoyl]benzoic acid
MOLECULAR FORMULA: C21H22N2O6
MOLECULAR WEIGHT: 398.40918
SMILES: CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC=CC=C3C(=O)O
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